C241-1171 Screening compound: 2-[3-(4-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C241-1171 Screening compound: 2-[3-(4-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
C241-1171 Screening compound: 2-[3-(4-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1171
2-[3-(4-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C241-1171

Molecular Formula

C21H13F4N3O3S (C21 H13 F4 N3 O3 S)

Compound Name

2-[3-(4-fluorophenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[3-(4-fluorophenyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(c1c(C(N2c(cc3)ccc3F)=O)scc1)C2=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C21H13F4N3O3S/c22-13-4-6-15(7-5-13)28-19(30)18-16(8-9-32-18)27(20(28)31)11-17(29)26-14-3-1-2-12(10-14)21(23,24)25/h1-10H,11H2,(H,26,29)

InChI Key

NMUPLUOZAISHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.38

Polar Surface Area

54.823

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

C241-1171 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1171?
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What is the minimum amount of C241-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1171
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C241-1171 available by request